2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate

C13H22O6 — CID 158022091

IUPAC2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate
SMILESCC(=O)COC(=O)C(C)OC(=O)CCOC(C)(C)C
InChIInChI=1S/C13H22O6/c1-9(14)8-17-12(16)10(2)19-11(15)6-7-18-13(3,4)5/h10H,6-8H2,1-5H3
InChIKeyXOBYPGSHICVHCG-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.26
Rot. Bonds7

About 2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate

2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate (PubChem CID 158022091) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate.

Molecular Properties

Compound Name2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate
PubChem CID158022091
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate
SMILESCC(=O)COC(=O)C(C)OC(=O)CCOC(C)(C)C
InChIInChI=1S/C13H22O6/c1-9(14)8-17-12(16)10(2)19-11(15)6-7-18-13(3,4)5/h10H,6-8H2,1-5H3
InChIKeyXOBYPGSHICVHCG-UHFFFAOYSA-N
XLogP1.26
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl] 4-oxopentanoate
CID 157461813
[3-(4,4-dimethyl-3-oxopentan-2-yl)oxy-3-oxopropyl] 2-acetyloxypropanoate
CID 153317884
[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 158535072
bis[1-(2-hydroxyethoxy)-1-oxopropan-2-yl] butanedioate
CID 162489298
(2S)-2-[(2S)-2-[(2S)-2-[3-[(2S)-2-acetyloxypropanoyl]oxypropanoyloxy]propanoyl]oxypropanoyl]oxypropanoic acid
CID 135353579
5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate
CID 58807583
[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] (Z)-5,5-dimethyl-4-oxohex-2-enoate;[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] (E)-5,5-dimethyl-4-oxohex-2-enoate;[1-oxo-1-(2-oxopropoxy)propan-2-yl] (Z)-5,5-dimethyl-4-oxohex-2-enoate;[1-oxo-1-(2-oxopropoxy)propan-2-yl] (E)-5,5-dimethyl-4-oxohex-2-enoate
CID 158291857
[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate
CID 176759680
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115
6-[(2-methylpropan-2-yl)oxy]hexan-2-one
CID 43793724
2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate
CID 112588145
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate?
The IUPAC name of 2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate (CID 158022091) is 2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate.
What is the SMILES notation for 2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate?
The canonical SMILES for 2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate is CC(=O)COC(=O)C(C)OC(=O)CCOC(C)(C)C.
What is the InChIKey of 2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate?
The InChIKey is XOBYPGSHICVHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6/c1-9(14)8-17-12(16)10(2)19-11(15)6-7-18-13(3,4)5/h10H,6-8H2,1-5H3.
What are the key properties of 2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate?
2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate has a molecular weight of 274.31 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate is sourced from PubChem (CID 158022091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).